6-[(3R)-3-azanylpiperidin-1-yl]-3-(2-methoxyphenyl)-2-(4H-pyrimidin-3-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 6-[(3R)-3-azanylpiperidin-1-yl]-3-(2-methoxyphenyl)-2-(4H-pyrimidin-3-ylcarbonyl)benzenecarbonitrile Openeye Name: 6-[(3R)-3-amino-1-piperidyl]-3-(2-methoxyphenyl)-2-(4H-pyrimidine-3-carbonyl)benzonitrile CAS Name: 6-[(3R)-3-amino-1-piperidinyl]-3-(2-methoxyphenyl)-2-[oxo(4H-pyrimidin-3-yl)methyl]benzonitrile IUPAC Name: 6-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenyl)-2-(4H-pyrimidine-3-carbonyl)benzonitrile Traditional Name: 6-[(3R)-3-aminopiperidino]-3-(2-methoxyphenyl)-2-(4H-pyrimidine-3-carbonyl)benzonitrile Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=C(C=C2)N3CCCC(C3)N)C#N)C(=O)N4CC=CN=C4

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=C(C=C2)N3CCC[C@H](C3)N)C#N)C(=O)N4CC=CN=C4

InChI

InChI=1S/C24H25N5O2/c1-31-22-8-3-2-7-18(22)19-9-10-21(28-12-4-6-17(26)15-28)20(14-25)23(19)24(30)29-13-5-11-27-16-29/h2-3,5,7-11,16-17H,4,6,12-13,15,26H2,1H3/t17-/m1/s1